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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 1030-1035 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The repulsive wall of the Ar–Ar interaction is reexamined with the purpose of rationalizing the apparent inconsistency between high energy beam results and high temperature transport data. A new piece-wise experimental potential is proposed which predicts not only the beam results but a large set of transport data up to 7000 K. Lower temperature/energy data are predicted almost equally as well as other state-of-the-art empirical potentials.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 6477-6493 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In order to address the problem of three-body interactions in gas–surface scattering, we considered the collision of a He atom with the (0001) surface of graphite coated by a monolayer of Xe. To eliminate the uncertainties connected with errors in the two-body He–Xe interaction, we determined the latter by crossed-beam differential collision cross-section measurements performed at two energies (67.2 and 22.35 meV). These scattering data together with room-temperature bulk diffusion data are then fitted with a Hartree–Fock–dispersion–type function to yield an interaction potential that explains most of the properties of this system within the experimental errors and represents an improvement on previously published He–Xe potentials. Helium diffraction measurements are then carried out from the Xe overlayer and the dependence of the specular intensity from the angle of incidence is carefully determined. Further, a He–surface potential is constructed by adding together the following terms: (1) the He–Xe pairwise sum, (2) the long-range He–(0001)C interaction, (3) the three-body contribution generated by the Axilrod–Teller–Muto term, (4) the so-called surface-mediated three-body interaction He–Xe–(0001)C first considered by A. D. McLachlan [Mol. Phys. 7, 381 (1964)], and finally (5) a small correction which is meant to take into account the nonstationary nature of the surface. Using this potential, well-converged close-coupling scattering calculations are carried out, and their results compared with the data. In general, good agreement is obtained. The agreement can, however, be improved by (a) an increase of about 30% in the contribution of three-body forces, (b) the lowering of the He–graphite long-range attraction coefficient by about 15%, or (c) a reduction of the two-body interaction well depth of 1.6% (the experimental error) together with any combination of the factors under (a) and (b) reduced by an adequate amount. Elimination of the contribution of the graphite surface by studying Xe multilayers is hindered by the uncertainties in the "thermal correction'' [point (5) above] which, due to the multilayer increased "softness,'' becomes an appreciable source of uncertainty.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 6348-6358 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Recent literature potentials for Ne–Kr and Ne–Xe systems are analyzed and critically assessed as to their abilities to predict dilute gas bulk and microscopic properties. Two new potentials are proposed for the Ne–Kr and Ne–Xe interactions which accurately predict a large number of properties and appear to be the best characterizations of these interactions.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 2308-2318 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Values of the second refractivity virial coefficients BR of the atomic gases He, Ne, Ar, Kr, and Xe have been measured with a recently improved differential-interferometric technique to a high degree of accuracy. This device basically consists of two coupled grating interferometers. One interferometer, with two similar cells in series, measures differentially the higher-order effects of density while the second interferometer, with two similar cells in parallel, simultaneously measures the absolute value of the refractive index. In the range of pressure investigated (up to 40 MPa), the third refractivity virial coefficient CR becomes significant for the gases Ar, Kr, and Xe and the fourth refractivity virial coefficient DR becomes significant for Xe. The agreement between our experimental BR and the theoretical prediction based on the classical dipole–induced-dipole model is fairly good for Ar, Kr, and Xe but poor for He and Ne. For He and Ne, however, good agreement is obtained when a semiclassical approach is used. Accurate values of the first refractivity virial coefficients AR were determined independently by making absolute measurements of the refractive index as a function of pressure.
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 5555-5555 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
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  • 7
    Electronic Resource
    Electronic Resource
    Springer
    International journal of thermophysics 12 (1991), S. 837-854 
    ISSN: 1572-9567
    Keywords: diffusion ; helium ; thermal conductivity ; thermal diffusion ; transport properties ; virials ; viscosity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Second virial coefficients and transport properties of helium are presented based on a state-of-the-art interatomic potential which was constructed with the use of a multiproperty fit. The experimental potential employed to produce these properties accurately reproduces a wide range of bulk and microscopic data and agrees well with ab initio calculations which were not available at the time of its construction. Virial coefficients of 3He and 4He are presented from 2 to 600 K, and transport properties of pure 3He and 4He gases and 3He-4He mixtures are presented from 5 to 6000 K.
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Springer
    International journal of thermophysics 16 (1995), S. 1029-1029 
    ISSN: 1572-9567
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 25 (1993), S. 343-344 
    ISSN: 1434-6079
    Keywords: 34.20.Cf ; 34.20.Gj
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract In the case of He2, Aziz et al. [Z. Phys. D 21,251 (1991)] proposed a modification to the original Tang-Toennies potential form (TT) [J. Chem. Phys. 80, 3726 (1984)] which allows for a more accurate repulsive wall. The total interaction energyE int can, in principle, be considered as the sum of uncorrelated and correlated energies, i.e.E int (r)=E unc(r)+E c (r).E unc is represented by the (SCF) Hartree-Fock interaction energyE SCF for the rare gas dimer.E c , which is expressed in terms of ab initio dispersion coefficients and a suitable damping function to account for charge overlap effects, is dominated by the van der Waals attraction in the long range. While the other literature potentials reproduce some of the data, only the TT model as modified by Aziz et al. properly characterizesE int over the entire range andE SCF over its range of significance.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    The European physical journal 21 (1991), S. 251-257 
    ISSN: 1434-6079
    Keywords: 34.20.cf ; 34.20.Gj
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Tang and Toennies presented [1] a simple model potential with individual damping for spherical interactions. Their model enables one to predict the interaction from only a knowledge of the dispersion coefficients and well known values for the energy and length parameters ɛ andr m . While this scheme results in a realistic representation of the potential bowl and long-range tail, the repulsive wall of the model is, unfortunately, generally too stiff. In the case of helium, the ab initia dispersion coefficients are accurately known, and hence the potential model contains no adjustable parameters to rectify this problem. In this work we present a modification of their model potential which includes two additional parameters to provide for improved flexibility. This new version of the model yields a more accurate representation of the helium system over a much larger range of interatomic separations than the original model.
    Type of Medium: Electronic Resource
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